program print_hamiltonian implicit none BEGIN_DOC ! Prints the Hamiltonian matrix defined in the space of determinants ! present in the |EZFIO| directory. END_DOC ! this has to be done in order to be sure that N_det, psi_det and ! psi_coef_sorted are the wave function stored in the |EZFIO| directory. read_wf = .True. touch read_wf call run end subroutine run implicit none integer :: i, j double precision :: hij do j=1,N_det do i=1,N_det call i_H_j(psi_det(1,1,i), psi_det(1,1,j), N_int, hij) if (dabs(hij) > 1.d-20) then print *, i, j, hij endif enddo enddo end